Cas no 94459-23-1 (ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate)

ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate structure
94459-23-1 structure
Product Name:ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate
CAS No:94459-23-1
MF:C12H23NO4
MW:245.315324068069
CID:2116110
PubChem ID:357735
Update Time:2025-04-21

ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-(tert-butoxycarbonyl)-3-methylbutanoate
    • NSC617254
    • ethyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
    • NSC-617254
    • SCHEMBL13956771
    • Ethyl 2-(Boc-amino)-3-methylbutanoate
    • 94459-23-1
    • Ethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
    • Ethyl2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
    • Inchi: 1S/C12H23NO4/c1-7-16-10(14)9(8(2)3)13-11(15)17-12(4,5)6/h8-9H,7H2,1-6H3,(H,13,15)
    • InChI Key: JNKNQMOSZQCECU-UHFFFAOYSA-N
    • SMILES: O(C(NC(C(=O)OCC)C(C)C)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 245.16270821Da
  • Monoisotopic Mass: 245.16270821Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 64.6?2

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